2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H13F3N4O — CID 79876922

IUPAC2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)16)10(17-8)18-3-5-19-6-4-18/h1-2H,3-6H2,(H3,15,16)
InChIKeyPJZAZCASJRHYLE-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.22
Rot. Bonds2

About 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide

2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79876922) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79876922
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)16)10(17-8)18-3-5-19-6-4-18/h1-2H,3-6H2,(H3,15,16)
InChIKeyPJZAZCASJRHYLE-UHFFFAOYSA-N
XLogP1.22
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876857
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 104958902
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877395
2-(azepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877717
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
2-(azocan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876505
2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877331
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 103356160

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79876922) is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is PJZAZCASJRHYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)16)10(17-8)18-3-5-19-6-4-18/h1-2H,3-6H2,(H3,15,16).
What are the key properties of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 274.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79876922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).